#\#CIF_2.0
# Created by the Bilbao Crystallographic Server
# http://www.cryst.ehu.es
# Date: 28/05/2020

data_5yOhtAoR
_audit_creation_date            2020-05-28
_audit_creation_method          "Bilbao Crystallographic Server"

_citation_journal_abbrev        "Journal of Alloys and Compounds"
_citation_journal_volume        420
_citation_page_first            29
_citation_page_last             33
_citation_article_id            ?
_citation_year                  2006
_citation_DOI                   10.1016/j.jallcom.2005.10.073

loop_
_citation_author_name
"Y. Xiao"
"Q. Huang"
"Z. Ouyang"
"J. Lynn"
"J. Liang"
"G. Rao"



_atomic_positions_source_database_code_ICSD  154737
_atomic_positions_source_other               .

_transition_temperature  42
_experiment_temperature  9

loop_
_irrep_id
_irrep_dimension
_irrep_small_dimension
_irrep_direction_type
_irrep_action
_irrep_modes_number
_irrep_presence
mGM4+  3  3  special primary  3  .
mGM5+  3  3  special secondary 	1 yes

_exptl_crystal_magnetic_properties_details
;
NPD
FM phase
Below 100K and up to 42K a tetragonal FM phase is observed (see #0.227). Below a spin reorientation transition takes place and the system becomes orthorhombic.
This structure is a correction (by the same authors) of the structure reported in 2005 for this phase, where a spureous inconsistent strain, which reduced the magnetic symmetry to monoclinic was present (see #0.226).
The structure exhibits a significant structural distortion with respect to the cubic parent phase, reducing the effective space group to Imma, consistently with the MSG defined by the spin arrangement.
;

_active_magnetic_irreps_details
;
1k magnetic structure
3-dim irrep along a special direction as primary
A second  3-dim irrep along a special direction, yielding the same MSG, is active as a secondary irrep and is present in the model (weak difference of the two Co moments)
The structure is also reported at other various temperatures.
;

_parent_space_group.name_H-M_alt  'F d -3 m'
_parent_space_group.IT_number                       227
_parent_space_group.transform_Pp_abc  'a,b,c;0,0,0'

loop_
_parent_propagation_vector.id
_parent_propagation_vector.kxkykz
k1 [0 0 0]

_parent_space_group.child_transform_Pp_abc  '-1/2a+1/2b,1/2a+1/2b,-c;1/2,1/2,1/2'
_space_group_magn.transform_BNS_Pp_abc  '-b,a,c;1/4,1/4,1/4'


_space_group_magn.number_BNS  74.559
_space_group_magn.name_BNS  "I m m' a'"
_cell_length_a             5.1512(2)
_cell_length_b             5.1431(2)
_cell_length_c             7.2973(2)
_cell_angle_alpha          90.00
_cell_angle_beta           90.00
_cell_angle_gamma          90.00

loop_
_space_group_symop_magn_operation.id
_space_group_symop_magn_operation.xyz
1 x,y,z,+1
2 -x+1/2,y,-z+1/2,+1
3 -x+1/2,-y+1/2,-z+1/2,+1
4 x,-y+1/2,z,+1
5 x+1/2,-y+1/2,-z+1/2,-1
6 -x,-y+1/2,z,-1
7 -x,y,z,-1
8 x+1/2,y,-z+1/2,-1

loop_
_space_group_symop_magn_centering.id
_space_group_symop_magn_centering.xyz
1 x,y,z,+1
2 x+1/2,y+1/2,z+1/2,+1

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Nd1 Nd 0.00000 0.25000 0.3744(3)
Co1_1 Co 0.00000 0.00000 0.00000
Co1_2 Co 0.25000 0.25000 0.75000

loop_
_atom_site_moment.label
_atom_site_moment.crystalaxis_x
_atom_site_moment.crystalaxis_y
_atom_site_moment.crystalaxis_z
_atom_site_moment.symmform
Nd1    0.00000 2.38(7) 0.00000 mx,0,0
Co1_1  0.00000 0.65(6) 0.00000 mx,0,mz
Co1_2  0.00000 0.63(10) 0.00000 mx,0,0


